chempirical

1,2-Dichloro-4-fluorobenzene

C6H3Cl2FCAS 1435-49-0164.99 g/mol

Open in Covalent MOL file
FClCl
Aryl halide

Properties

Molecular formula
C6H3Cl2F
Molar mass
164.99 g/mol
Exact mass
163.9596 Da
Boiling point
171 °C
logP
3.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1435-49-0
SMILES
Fc1ccc(Cl)c(Cl)c1
InChIKey
QSDKXMVGRLVIQV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzene, 1,2-dichloro-4-fluoro-
  • 3,4-Dichlorofluorobenzene
  • 3,4-Dichloro-1-fluorobenzene
  • 1-Fluoro-3,4-dichlorobenzene
  • NSC 82300

Work with 1,2-Dichloro-4-fluorobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-2,4-difluorobenzene1435-44-565 % similar 2-Chloro-5-fluorophenol3827-49-463 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-960 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-560 % similar 2-Chloro-4-fluorophenol1996-41-460 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-260 % similar 1-Chloro-4-fluoro-2-iodobenzene202982-68-160 % similar 2-Chloro-4-fluorobenzenamine2106-02-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dichloro-5-fluorobenzene1435-46-7 2,4-Dichlorofluorobenzene1435-48-9 1,3-Dichloro-2-fluorobenzene2268-05-5 1,2-Dichloro-3-fluorobenzene36556-50-0

Elsewhere

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